9F9R
AimR 13952 with non cognate peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.643, 67.042, 144.617 |
| Unit cell angles | 90.20, 94.25, 107.48 |
Refinement procedure
| Resolution | 144.170 - 2.500 |
| R-factor | 0.20552 |
| Rwork | 0.203 |
| R-free | 0.25356 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.179 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 144.170 | 2.661 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 34420 | 1721 |
| <I/σ(I)> | 8.2 | 1.8 |
| Completeness [%] | 83.9 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.995 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.2M Lithium sulfate 15% PEG 8000 |
